16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6.0562781295503205 stress="-0.00016348624746489147 1.4793638793266546e-05 3.142457188919352e-05 1.4793638793266546e-05 -9.101735240729731e-05 -0.00017989568774039763 3.142457188919352e-05 -0.00017989568774039763 -6.566586051595513e-05" pbc="F F F" Fe 20.91870436 21.04860922 21.20118821 0.16259770 0.25122898 0.24377448 Fe 22.70960170 22.31143450 22.33833517 -0.87517812 2.63630358 2.44916443 Fe 23.78829595 20.83509776 21.14041416 1.09086899 -1.56530972 -0.90838123 Fe 25.55032744 22.51878885 22.32834452 -0.89807823 0.59763278 0.54117002 Fe 21.00812325 23.95894820 21.46238060 -1.63576485 -1.69824456 -0.84327030 Fe 22.56504129 25.20865944 22.36550211 -1.37774943 4.46815345 4.73999931 Fe 23.78802619 24.22277084 21.18584377 3.76909960 -2.92551154 -3.12743973 Fe 25.68362810 25.69581920 22.37277522 -0.94342047 -0.90667858 0.69392874 Fe 21.05464139 21.35991950 24.05691201 0.24238570 0.14712561 -0.40653450 Fe 22.79339672 22.28792533 25.60109685 -0.98065461 1.59025853 1.34295527 Fe 24.03848316 21.17869150 24.15023703 -0.61076669 -1.97766845 -2.88723751 Fe 25.63979664 22.38825682 25.09225101 1.10205272 1.76088709 0.77081543 Fe 21.40397872 24.17895518 24.29140871 -2.89988806 -3.31933089 -2.56188578 Fe 22.61455359 25.45738956 25.43125140 0.75842725 4.07207363 3.57906302 Fe 23.78091226 24.10609294 24.24882195 2.73597949 -3.09217568 -3.48949512 Fe 25.36808025 25.45520457 25.34064539 0.36008901 -0.03874421 -0.13662654